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MGAT2-IN-5

CAT: 0804-HY-118696Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-118696Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MGAT2-IN-5 (Compound 17b) is a selective inhibitor for mouse GABA transit protection subsidity 2 (mGAT2) with an IC50 of 45 μM. MGAT2-IN-5 exhibits anticonvulsive efficacy in audiogenic seizure (AGS) susceptible frings mouse model with an ED50 of 20.4 mg/kg[1].
CAS Number
1426208-69-6
UNSPSC
12352100
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mgat2-in-5.html
Smiles
O=C(C1=CCCCC1N(CC/C=C(C2=C(C)C=CS2)\C3=C(C)C=CS3)C)O
Molecular Formula
C22H27NO2S2
Molecular Weight
401.59
References & Citations
[1]Vogensen SB, et al., Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization. J Med Chem. 2013 Mar 14;56 (5) :2160-4.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

RPC425 free base
CAS Number1426208-69-6
PubChem CID71584171
IUPAC Name6-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]cyclohexene-1-carboxylic acid
Molecular FormulaC22H27NO2S2
Molecular Weight401.6
XLogP3.3
Topological Polar Surface Area97
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity567
SMILES
CC1=C(SC=C1)C(=CCCN(C)C2CCCC=C2C(=O)O)C3=C(C=CS3)C
InChI
InChI=1S/C22H27NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h7-8,10-11,13-14,19H,4-6,9,12H2,1-3H3,(H,24,25)
InChIKey
MTVVZKYZYJUBSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RPC425 free base
CAS: 1426208-69-6
CID: 71584171
Formula: C22H27NO2S2
MW: 401.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass401.14832145
Monoisotopic Mass401.14832145
Topological Polar Surface Area97 Ų
Heavy Atom Count27
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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